Spektraris NMR
15-Acetoxyheliangin
Common Name: 15-Acetoxyheliangin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-6-11(2)20(25)29-17-9-22(5)18(30-22)8-15(24)14(10-27-13(4)23)7-16-19(17)12(3)21(26)28-16/h6-7,15-19,24H,3,8-10H2,1-2,4-5H3/b11-6+,14-7-/t15-,16-,17-,18-,19+,22-/m1/s1
InChIKey: InChIKey=IOURGKLXEVLPNY-IATLOSCNSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lo, K.L., Kuo, Y.H., Khalil, A.T. J Nat Prod (2005) 68, 745-50
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 60.4 |
| 2 (CH2) | 33.9 |
| 3 (CH) | 69.2 |
| 4 (C) | 139.7 |
| 5 (CH) | 129.6 |
| 6 (CH) | 76.2 |
| 7 (CH) | 48.1 |
| 8 (CH) | 73.6 |
| 9 (CH2) | 43.6 |
| 10 (C) | 58.6 |
| 11 (C) | 136.8 |
| 12 (C) | 169.4 |
| 13 (CH2) | 125.4 |
| 14 (CH3) | 19.7 |
| 15 (CH2) | 66.7 |
| 8a (C) | 166.6 |
| 8b (C) | 127.7 |
| 8c (CH) | 139.1 |
| 8d (CH3) | 14.6 |
| 8ba (CH3) | 11.2 |
| 15a (C) | 170.5 |
| 15b (CH3) | 20.9 |
